1-(dibromomethoxy)butane

C5H10Br2O — CID 57229794

IUPAC1-(dibromomethoxy)butane
SMILESCCCCOC(Br)Br
InChIInChI=1S/C5H10Br2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3
InChIKeyWBGRMXAKOFWMJR-UHFFFAOYSA-N
MW245.94 g/mol
LogP2.88
Rot. Bonds4

About 1-(dibromomethoxy)butane

1-(dibromomethoxy)butane (PubChem CID 57229794) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is 1-(dibromomethoxy)butane.

Molecular Properties

Compound Name1-(dibromomethoxy)butane
PubChem CID57229794
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name1-(dibromomethoxy)butane
SMILESCCCCOC(Br)Br
InChIInChI=1S/C5H10Br2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3
InChIKeyWBGRMXAKOFWMJR-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibromomethoxy)butane?
The IUPAC name of 1-(dibromomethoxy)butane (CID 57229794) is 1-(dibromomethoxy)butane.
What is the SMILES notation for 1-(dibromomethoxy)butane?
The canonical SMILES for 1-(dibromomethoxy)butane is CCCCOC(Br)Br.
What is the InChIKey of 1-(dibromomethoxy)butane?
The InChIKey is WBGRMXAKOFWMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3.
What are the key properties of 1-(dibromomethoxy)butane?
1-(dibromomethoxy)butane has a molecular weight of 245.94 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibromomethoxy)butane is sourced from PubChem (CID 57229794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).